methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl (2Z)-2-(5-chloranylthiophen-2-yl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Openeye Name: methyl (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate CAS Name: (2Z)-2-[(5-chloro-2-thiophenyl)sulfonylimino]-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl (2Z)-2-(5-chlorothiophen-2-yl)sulfonylimino-3-prop-2-ynyl-1,3-benzothiazole-6-carboxylate Traditional Name: (2Z)-2-[(5-chloro-2-thienyl)sulfonylimino]-3-propargyl-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H11ClN2O4S3 MolecularWeight: 426.91754

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N(C(=NS(=O)(=O)C3=CC=C(S3)Cl)S2)CC#C

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N(/C(=N/S(=O)(=O)C3=CC=C(S3)Cl)/S2)CC#C

InChI

InChI=1S/C16H11ClN2O4S3/c1-3-8-19-11-5-4-10(15(20)23-2)9-12(11)24-16(19)18-26(21,22)14-7-6-13(17)25-14/h1,4-7,9H,8H2,2H3/b18-16-